SCHEMBL9748880

SCHEMBL9748880

CC1CC(C)(C)Oc2cc(O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.43
TMEM97 Q5BJF2 2/20 0.43
HTR2B P41595 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MGAM O43451 1/20 0.38
PTPN1 P18031 1/20 0.38
LMNA P02545 2/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
HIF1A Q16665 1/20 0.37
ALOX12 P18054 1/20 0.37
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CNR2 P34972 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11037376 0.83 KDM4E (0.46) KDM4EALDH1A1MAPTTMEM97HTR2B
SCHEMBL10585397 0.82 KDM4E (0.45) KDM4EALDH1A1MAPTTMEM97HTR2B
SCHEMBL27463900 0.81 ALDH1A1 (0.46) KDM4EALDH1A1MAPTTMEM97HTR2B
SCHEMBL25659966 0.81 HTR2C (0.34) KDM4EALDH1A1MAPTHTR2BSIGMAR1
Hydrochloric Acid SCHEMBL17708952 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTTMEM97HTR2B
SCHEMBL9749322 0.80 KDM4E (0.43) KDM4EALDH1A1MAPTTMEM97HTR2B
SCHEMBL9516408 0.80 KDM4E (0.43) KDM4EALDH1A1MAPTTMEM97HTR2B
SCHEMBL25659982 0.78 MAPT (0.45) KDM4EALDH1A1MAPTTMEM97HTR2B
SCHEMBL11357106 0.77 KDM4E (0.50) KDM4EALDH1A1MAPTSMN1; SMN2TDP1
SCHEMBL11453514 0.75 ALDH1A1 (0.33) KDM4EALDH1A1MAPTPTPN1HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
EP-0021827-B1 POLYALKYLHYDROXYCHROMENE AND PROCESS FOR PREPARING THE SAME MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-05-11 EP disclosed
US-4323505-A HERBICIDES, FUNGICIDES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-04-06 US disclosed
EP-0021827-A1 Polyalkylhydroxychromene and process for preparing the same MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-01-07 EP disclosed